1P0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAI | sing | 1.53Å | 1.51Å | |
| CAL | NBB | sing | 1.46Å | 1.48Å | |
| CAJ | NAZ | sing | 1.46Å | 1.54Å | |
| CAJ | CAG | sing | 1.53Å | 1.55Å | |
| CAI | OAC | sing | 1.43Å | 1.47Å | |
| CAD | NAZ | sing | 1.35Å | 1.35Å | Aromatic |
| CAD | CAV | doub | 1.35Å | 1.33Å | Aromatic |
| NBB | CAF | sing | 1.35Å | 1.36Å | Aromatic |
| NBB | NAU | sing | 1.29Å | 1.24Å | Aromatic |
| NAZ | NAS | sing | 1.29Å | 1.26Å | Aromatic |
| CAF | CAX | doub | 1.35Å | 1.33Å | Aromatic |
| CAG | OAA | sing | 1.43Å | 1.45Å | |
| NAU | NAR | doub | 1.29Å | 1.20Å | Aromatic |
| CAM | CAV | sing | 1.51Å | 1.54Å | |
| CAM | NAY | sing | 1.47Å | 1.50Å | |
| CAV | NAP | sing | 1.34Å | 1.32Å | Aromatic |
| CAX | NAR | sing | 1.34Å | 1.34Å | Aromatic |
| CAX | CAO | sing | 1.51Å | 1.56Å | |
| NAS | NAP | doub | 1.29Å | 1.35Å | Aromatic |
| CAO | NAY | sing | 1.47Å | 1.49Å | |
| NAY | CAN | sing | 1.47Å | 1.51Å | |
| CAN | CAW | sing | 1.51Å | 1.51Å | |
| CAW | NAQ | sing | 1.34Å | 1.31Å | Aromatic |
| CAW | CAE | doub | 1.35Å | 1.31Å | Aromatic |
| NAQ | NAT | doub | 1.29Å | 1.22Å | Aromatic |
| CAE | NBA | sing | 1.35Å | 1.32Å | Aromatic |
| NAT | NBA | sing | 1.29Å | 1.29Å | Aromatic |
| NBA | CAK | sing | 1.46Å | 1.45Å | |
| CAK | CAH | sing | 1.53Å | 1.55Å | |
| CAH | OAB | sing | 1.43Å | 1.46Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAI | H15 | sing | 1.09Å | 1.10Å | |
| CAI | H16 | sing | 1.09Å | 1.10Å | |
| OAC | H17 | sing | 0.97Å | 0.95Å | |
| CAN | H18 | sing | 1.09Å | 1.10Å | |
| CAN | H19 | sing | 1.09Å | 1.10Å | |
| CAE | H20 | sing | 1.08Å | 1.08Å | |
| CAK | H21 | sing | 1.09Å | 1.10Å | |
| CAK | H22 | sing | 1.09Å | 1.10Å | |
| CAH | H23 | sing | 1.09Å | 1.10Å | |
| CAH | H24 | sing | 1.09Å | 1.10Å | |
| OAB | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAL | NBB | 110.5° | 109.4° |
| CAL | CAI | OAC | 104.3° | 109.5° |
| CAI | CAL | H13 | 109.2° | 109.5° |
| CAI | CAL | H14 | 109.2° | 109.5° |
| CAL | CAI | H15 | 110.7° | 109.5° |
| CAL | CAI | H16 | 110.8° | 109.5° |
| CAL | NBB | CAF | 136.5° | 125.9° |
| CAL | NBB | NAU | 114.6° | 125.9° |
| NBB | CAL | H13 | 109.2° | 109.5° |
| NBB | CAL | H14 | 109.2° | 109.4° |
| NAZ | CAJ | CAG | 115.7° | 109.5° |
| CAJ | NAZ | CAD | 123.0° | 125.9° |
| CAJ | NAZ | NAS | 128.8° | 125.9° |
| NAZ | CAJ | H4 | 107.9° | 109.5° |
| NAZ | CAJ | H5 | 107.9° | 109.5° |
| CAJ | CAG | OAA | 109.2° | 109.5° |
| CAJ | CAG | H2 | 109.6° | 109.5° |
| CAJ | CAG | H3 | 109.6° | 109.5° |
| CAG | CAJ | H4 | 107.9° | 109.5° |
| CAG | CAJ | H5 | 107.9° | 109.5° |
| OAC | CAI | H15 | 110.7° | 109.5° |
| OAC | CAI | H16 | 110.7° | 109.4° |
| CAI | OAC | H17 | 109.5° | 114.0° |
| NAZ | CAD | CAV | 107.6° | 106.2° |
| CAD | NAZ | NAS | 108.3° | 108.2° |
| NAZ | CAD | H6 | 126.2° | 126.9° |
| CAD | CAV | CAM | 126.2° | 126.8° |
| CAD | CAV | NAP | 107.4° | 106.5° |
| CAV | CAD | H6 | 126.2° | 126.9° |
| CAF | NBB | NAU | 108.9° | 108.2° |
| NBB | CAF | CAX | 104.0° | 106.2° |
| NBB | CAF | H12 | 128.0° | 126.9° |
| NBB | NAU | NAR | 111.5° | 110.2° |
| NAZ | NAS | NAP | 109.8° | 110.2° |
| CAF | CAX | NAR | 105.3° | 106.5° |
| CAF | CAX | CAO | 132.3° | 126.7° |
| CAX | CAF | H12 | 128.0° | 126.9° |
| CAG | OAA | H1 | 109.5° | 114.0° |
| OAA | CAG | H2 | 109.5° | 109.5° |
| OAA | CAG | H3 | 109.6° | 109.4° |
| NAU | NAR | CAX | 110.3° | 108.9° |
| CAV | CAM | NAY | 116.1° | 109.5° |
| CAM | CAV | NAP | 126.4° | 126.8° |
| CAV | CAM | H7 | 107.8° | 109.5° |
| CAV | CAM | H8 | 107.8° | 109.5° |
| CAM | NAY | CAO | 113.8° | 111.0° |
| CAM | NAY | CAN | 113.9° | 111.0° |
| NAY | CAM | H7 | 107.8° | 109.5° |
| NAY | CAM | H8 | 107.8° | 109.5° |
| CAV | NAP | NAS | 106.9° | 108.9° |
| NAR | CAX | CAO | 122.4° | 126.8° |
| CAX | CAO | NAY | 99.6° | 109.5° |
| CAX | CAO | H10 | 111.9° | 109.5° |
| CAX | CAO | H11 | 111.9° | 109.5° |
| CAO | NAY | CAN | 111.3° | 111.0° |
| NAY | CAO | H10 | 111.9° | 109.5° |
| NAY | CAO | H11 | 111.9° | 109.4° |
| NAY | CAN | CAW | 94.6° | 109.5° |
| NAY | CAN | H18 | 113.0° | 109.5° |
| NAY | CAN | H19 | 113.0° | 109.5° |
| CAN | CAW | NAQ | 124.5° | 126.7° |
| CAN | CAW | CAE | 125.9° | 126.8° |
| CAW | CAN | H18 | 113.1° | 109.4° |
| CAW | CAN | H19 | 113.1° | 109.5° |
| NAQ | CAW | CAE | 109.4° | 106.5° |
| CAW | NAQ | NAT | 107.1° | 108.9° |
| CAW | CAE | NBA | 104.1° | 106.2° |
| CAW | CAE | H20 | 127.9° | 126.9° |
| NAQ | NAT | NBA | 111.3° | 110.2° |
| CAE | NBA | NAT | 108.0° | 108.3° |
| CAE | NBA | CAK | 121.7° | 125.9° |
| NBA | CAE | H20 | 127.9° | 126.9° |
| NAT | NBA | CAK | 130.1° | 125.9° |
| NBA | CAK | CAH | 105.0° | 109.5° |
| NBA | CAK | H21 | 110.6° | 109.5° |
| NBA | CAK | H22 | 110.6° | 109.5° |
| CAK | CAH | OAB | 109.4° | 109.5° |
| CAH | CAK | H21 | 110.6° | 109.5° |
| CAH | CAK | H22 | 110.6° | 109.5° |
| CAK | CAH | H23 | 109.5° | 109.5° |
| CAK | CAH | H24 | 109.5° | 109.5° |
| OAB | CAH | H23 | 109.5° | 109.4° |
| OAB | CAH | H24 | 109.5° | 109.5° |
| CAH | OAB | H25 | 109.5° | 114.0° |
| H2 | CAG | H3 | 109.4° | 109.5° |
| H4 | CAJ | H5 | 109.5° | 109.4° |
| H7 | CAM | H8 | 109.5° | 109.5° |
| H10 | CAO | H11 | 109.5° | 109.4° |
| H13 | CAL | H14 | 109.4° | 109.5° |
| H15 | CAI | H16 | 109.5° | 109.5° |
| H18 | CAN | H19 | 109.5° | 109.5° |
| H21 | CAK | H22 | 109.4° | 109.5° |
| H23 | CAH | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAL | NBB | H13 | 120.2° | 120.0° |
| CAI | CAL | NBB | H14 | 120.2° | 120.0° |
| CAL | CAI | OAC | H15 | 119.2° | 120.0° |
| CAL | CAI | OAC | H16 | 119.2° | 120.0° |
| CAI | CAL | NBB | CAF | 69.1° | 125.0° |
| CAI | CAL | NBB | NAU | 113.1° | 55.3° |
| CAI | CAL | H13 | H14 | 119.5° | 120.1° |
| CAL | CAI | H15 | H16 | 122.4° | 120.1° |
| CAL | CAI | OAC | H17 | 180.0° | 179.9° |
| NBB | CAL | CAI | OAC | 72.8° | 180.0° |
| CAL | NBB | CAF | NAU | 177.9° | 179.7° |
| CAL | NBB | CAF | CAX | 178.6° | 180.0° |
| CAL | NBB | NAU | NAR | 178.8° | 179.8° |
| CAL | NBB | CAF | H12 | 1.4° | 0.1° |
| NBB | CAL | H13 | H14 | 119.5° | 120.0° |
| NBB | CAL | CAI | H15 | 46.3° | 60.0° |
| NBB | CAL | CAI | H16 | 168.0° | 60.0° |
| NAZ | CAJ | CAG | H4 | 120.9° | 120.0° |
| NAZ | CAJ | CAG | H5 | 120.9° | 120.1° |
| CAJ | NAZ | CAD | NAS | 179.5° | 179.7° |
| CAJ | NAZ | CAD | CAV | 179.8° | 180.0° |
| NAZ | CAJ | CAG | OAA | 94.1° | 180.0° |
| CAJ | NAZ | NAS | NAP | 179.6° | 180.0° |
| NAZ | CAJ | CAG | H2 | 146.0° | 60.0° |
| NAZ | CAJ | CAG | H3 | 25.9° | 60.0° |
| NAZ | CAJ | H4 | H5 | 117.1° | 120.0° |
| CAJ | NAZ | CAD | H6 | 0.2° | 0.0° |
| CAG | CAJ | NAZ | CAD | 157.2° | 125.3° |
| CAG | CAJ | NAZ | NAS | 23.4° | 55.0° |
| CAJ | CAG | OAA | H2 | 120.0° | 120.0° |
| CAJ | CAG | OAA | H3 | 120.0° | 120.0° |
| CAJ | CAG | OAA | H1 | 180.0° | 180.0° |
| CAJ | CAG | H2 | H3 | 120.1° | 120.0° |
| CAG | CAJ | H4 | H5 | 117.2° | 120.0° |
| OAC | CAI | CAL | H13 | 47.4° | 60.0° |
| OAC | CAI | CAL | H14 | 167.0° | 60.1° |
| OAC | CAI | H15 | H16 | 122.4° | 120.0° |
| NAZ | CAD | CAV | H6 | 180.0° | 180.0° |
| NAZ | CAD | CAV | CAM | 179.5° | 180.0° |
| NAZ | CAD | CAV | NAP | 0.3° | 0.2° |
| CAD | NAZ | NAS | NAP | 0.2° | 0.3° |
| CAD | NAZ | CAJ | H4 | 36.3° | 5.3° |
| CAD | NAZ | CAJ | H5 | 81.9° | 114.7° |
| CAV | CAD | NAZ | NAS | 0.3° | 0.3° |
| CAD | CAV | CAM | NAP | 179.1° | 179.8° |
| CAD | CAV | CAM | NAY | 123.9° | 95.0° |
| CAD | CAV | NAP | NAS | 0.1° | 0.1° |
| CAD | CAV | CAM | H7 | 115.2° | 145.0° |
| CAD | CAV | CAM | H8 | 2.9° | 25.0° |
| NBB | CAF | CAX | H12 | 180.0° | 179.9° |
| CAF | NBB | NAU | NAR | 0.4° | 0.5° |
| NBB | CAF | CAX | NAR | 0.7° | 0.0° |
| NBB | CAF | CAX | CAO | 179.9° | 179.7° |
| CAF | NBB | CAL | H13 | 170.8° | 115.0° |
| CAF | NBB | CAL | H14 | 51.1° | 5.0° |
| NAU | NBB | CAF | CAX | 0.7° | 0.3° |
| NBB | NAU | NAR | CAX | 0.0° | 0.5° |
| NAU | NBB | CAF | H12 | 179.4° | 179.6° |
| NAU | NBB | CAL | H13 | 7.1° | 64.6° |
| NAU | NBB | CAL | H14 | 126.7° | 175.3° |
| NAZ | NAS | NAP | CAV | 0.0° | 0.1° |
| NAS | NAZ | CAJ | H4 | 144.4° | 175.0° |
| NAS | NAZ | CAJ | H5 | 97.5° | 65.0° |
| NAS | NAZ | CAD | H6 | 179.7° | 179.8° |
| CAF | CAX | NAR | NAU | 0.5° | 0.3° |
| CAF | CAX | NAR | CAO | 179.3° | 179.7° |
| CAF | CAX | CAO | NAY | 159.1° | 95.1° |
| CAF | CAX | CAO | H10 | 40.7° | 24.9° |
| CAF | CAX | CAO | H11 | 82.6° | 144.9° |
| OAA | CAG | H2 | H3 | 120.1° | 120.0° |
| OAA | CAG | CAJ | H4 | 26.8° | 60.0° |
| OAA | CAG | CAJ | H5 | 145.0° | 60.0° |
| NAU | NAR | CAX | CAO | 179.8° | 180.0° |
| CAV | CAM | NAY | H7 | 121.0° | 120.0° |
| CAV | CAM | NAY | H8 | 120.9° | 120.0° |
| CAM | CAV | NAP | NAS | 179.4° | 179.9° |
| CAV | CAM | NAY | CAO | 157.5° | 66.0° |
| CAV | CAM | NAY | CAN | 28.4° | 170.0° |
| CAM | CAV | CAD | H6 | 0.5° | 0.0° |
| CAV | CAM | H7 | H8 | 117.0° | 120.0° |
| NAY | CAM | CAV | NAP | 57.0° | 84.8° |
| CAM | NAY | CAO | CAX | 70.3° | 164.4° |
| CAM | NAY | CAO | CAN | 130.4° | 123.9° |
| CAM | NAY | CAN | CAW | 140.6° | 75.7° |
| NAY | CAM | H7 | H8 | 117.0° | 120.0° |
| CAM | NAY | CAO | H10 | 48.0° | 44.4° |
| CAM | NAY | CAO | H11 | 171.3° | 75.6° |
| CAM | NAY | CAN | H18 | 101.9° | 164.4° |
| CAM | NAY | CAN | H19 | 23.2° | 44.3° |
| NAP | CAV | CAD | H6 | 179.8° | 179.8° |
| NAP | CAV | CAM | H7 | 63.9° | 35.2° |
| NAP | CAV | CAM | H8 | 178.0° | 155.2° |
| NAR | CAX | CAO | NAY | 20.0° | 85.2° |
| NAR | CAX | CAO | H10 | 138.4° | 154.7° |
| NAR | CAX | CAO | H11 | 98.3° | 34.7° |
| NAR | CAX | CAF | H12 | 179.4° | 179.9° |
| CAX | CAO | NAY | H10 | 118.4° | 120.1° |
| CAX | CAO | NAY | H11 | 118.4° | 120.0° |
| CAX | CAO | NAY | CAN | 60.1° | 71.7° |
| CAX | CAO | H10 | H11 | 124.6° | 120.0° |
| CAO | CAX | CAF | H12 | 0.1° | 0.3° |
| CAO | NAY | CAN | CAW | 89.0° | 160.3° |
| CAO | NAY | CAM | H7 | 81.6° | 53.9° |
| CAO | NAY | CAM | H8 | 36.5° | 174.0° |
| NAY | CAO | H10 | H11 | 124.6° | 119.9° |
| CAO | NAY | CAN | H18 | 28.5° | 40.4° |
| CAO | NAY | CAN | H19 | 153.5° | 79.6° |
| NAY | CAN | CAW | H18 | 117.5° | 120.0° |
| NAY | CAN | CAW | H19 | 117.5° | 120.1° |
| NAY | CAN | CAW | NAQ | 69.9° | 85.2° |
| NAY | CAN | CAW | CAE | 104.7° | 95.0° |
| CAN | NAY | CAM | H7 | 149.3° | 70.0° |
| CAN | NAY | CAM | H8 | 92.6° | 50.0° |
| CAN | NAY | CAO | H10 | 178.4° | 168.3° |
| CAN | NAY | CAO | H11 | 58.3° | 48.3° |
| NAY | CAN | H18 | H19 | 127.0° | 120.1° |
| CAN | CAW | NAQ | CAE | 175.4° | 179.8° |
| CAN | CAW | NAQ | NAT | 178.2° | 180.0° |
| CAN | CAW | CAE | NBA | 177.0° | 180.0° |
| CAW | CAN | H18 | H19 | 127.0° | 119.9° |
| CAN | CAW | CAE | H20 | 3.0° | 0.0° |
| NAQ | CAW | CAE | NBA | 1.6° | 0.2° |
| CAW | NAQ | NAT | NBA | 2.7° | 0.1° |
| NAQ | CAW | CAN | H18 | 172.6° | 154.8° |
| NAQ | CAW | CAN | H19 | 47.5° | 34.8° |
| NAQ | CAW | CAE | H20 | 178.4° | 179.8° |
| CAE | CAW | NAQ | NAT | 2.7° | 0.2° |
| CAW | CAE | NBA | H20 | 180.0° | 180.0° |
| CAW | CAE | NBA | NAT | 0.0° | 0.2° |
| CAW | CAE | NBA | CAK | 176.7° | 180.0° |
| CAE | CAW | CAN | H18 | 12.7° | 25.0° |
| CAE | CAW | CAN | H19 | 137.8° | 144.9° |
| NAQ | NAT | NBA | CAE | 1.7° | 0.0° |
| NAQ | NAT | NBA | CAK | 178.1° | 179.9° |
| CAE | NBA | NAT | CAK | 176.3° | 179.9° |
| CAE | NBA | CAK | CAH | 141.6° | 125.0° |
| CAE | NBA | CAK | H21 | 99.0° | 115.0° |
| CAE | NBA | CAK | H22 | 22.3° | 5.0° |
| NAT | NBA | CAK | CAH | 34.2° | 54.8° |
| NAT | NBA | CAE | H20 | 180.0° | 179.9° |
| NAT | NBA | CAK | H21 | 85.1° | 65.2° |
| NAT | NBA | CAK | H22 | 153.5° | 174.8° |
| NBA | CAK | CAH | H21 | 119.3° | 120.0° |
| NBA | CAK | CAH | H22 | 119.3° | 120.0° |
| NBA | CAK | CAH | OAB | 66.3° | 180.0° |
| CAK | NBA | CAE | H20 | 3.3° | 0.0° |
| NBA | CAK | H21 | H22 | 122.1° | 120.0° |
| NBA | CAK | CAH | H23 | 53.7° | 60.0° |
| NBA | CAK | CAH | H24 | 173.7° | 60.0° |
| CAK | CAH | OAB | H23 | 120.0° | 120.0° |
| CAK | CAH | OAB | H24 | 120.0° | 120.1° |
| CAH | CAK | H21 | H22 | 122.1° | 120.0° |
| CAK | CAH | H23 | H24 | 120.0° | 120.0° |
| CAK | CAH | OAB | H25 | 180.0° | 180.0° |
| OAB | CAH | CAK | H21 | 174.4° | 60.0° |
| OAB | CAH | CAK | H22 | 53.0° | 60.0° |
| OAB | CAH | H23 | H24 | 120.0° | 119.9° |
| H1 | OAA | CAG | H2 | 60.1° | 60.0° |
| H1 | OAA | CAG | H3 | 60.0° | 60.0° |
| H2 | CAG | CAJ | H4 | 93.1° | 180.0° |
| H2 | CAG | CAJ | H5 | 25.1° | 60.0° |
| H3 | CAG | CAJ | H4 | 146.8° | 60.0° |
| H3 | CAG | CAJ | H5 | 95.0° | 180.0° |
| H13 | CAL | CAI | H15 | 166.5° | 180.0° |
| H13 | CAL | CAI | H16 | 71.8° | 60.0° |
| H14 | CAL | CAI | H15 | 73.8° | 59.9° |
| H14 | CAL | CAI | H16 | 47.8° | 180.0° |
| H15 | CAI | OAC | H17 | 60.9° | 60.0° |
| H16 | CAI | OAC | H17 | 60.8° | 60.0° |
| H21 | CAK | CAH | H23 | 65.6° | 180.0° |
| H21 | CAK | CAH | H24 | 54.4° | 60.0° |
| H22 | CAK | CAH | H23 | 173.0° | 60.0° |
| H22 | CAK | CAH | H24 | 67.0° | 180.0° |
| H23 | CAH | OAB | H25 | 60.0° | 60.0° |
| H24 | CAH | OAB | H25 | 60.0° | 60.0° |
